3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid

C14H10N2O3 — CID 61396265

IUPAC3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1ccc(C#N)cn1
InChIInChI=1S/C14H10N2O3/c1-9-2-4-11(14(17)18)6-12(9)19-13-5-3-10(7-15)8-16-13/h2-6,8H,1H3,(H,17,18)
InChIKeySBAIEIMFGAGBBS-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.75
Rot. Bonds3

About 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid

3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid (PubChem CID 61396265) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
PubChem CID61396265
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1Oc1ccc(C#N)cn1
InChIInChI=1S/C14H10N2O3/c1-9-2-4-11(14(17)18)6-12(9)19-13-5-3-10(7-15)8-16-13/h2-6,8H,1H3,(H,17,18)
InChIKeySBAIEIMFGAGBBS-UHFFFAOYSA-N
XLogP2.75
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
6-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16792097
4-(5-cyano-2-methylphenoxy)-3-methylbenzoic acid
CID 107656653
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
2-[(5-cyano-2-pyridinyl)oxy]-5-fluorobenzoic acid
CID 113281460
6-(5-cyano-2-methylphenoxy)pyridine-3-sulfonamide
CID 107655271
3-(6-chloropyridazin-3-yl)oxy-4-methylbenzoic acid
CID 61396298
4-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)oxy]benzoic acid
CID 83259628
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
ethyl 3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoate
CID 66818619
[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
CID 141280425

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
The IUPAC name of 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid (CID 61396265) is 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
The canonical SMILES for 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1Oc1ccc(C#N)cn1.
What is the InChIKey of 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
The InChIKey is SBAIEIMFGAGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-9-2-4-11(14(17)18)6-12(9)19-13-5-3-10(7-15)8-16-13/h2-6,8H,1H3,(H,17,18).
What are the key properties of 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid?
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid is sourced from PubChem (CID 61396265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).